N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C15H23N3O2S — CID 90572337

IUPACN-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H23N3O2S/c1-4-6-7-17(5-2)14(20)12-9-18-13(19)11(3)8-16-15(18)21-10-12/h8,12H,4-7,9-10H2,1-3H3
InChIKeyXAMZAEMEXUVXAT-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.92
Rot. Bonds5

About N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572337) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572337
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H23N3O2S/c1-4-6-7-17(5-2)14(20)12-9-18-13(19)11(3)8-16-15(18)21-10-12/h8,12H,4-7,9-10H2,1-3H3
InChIKeyXAMZAEMEXUVXAT-UHFFFAOYSA-N
XLogP1.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572337) is N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCCN(CC)C(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is XAMZAEMEXUVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-6-7-17(5-2)14(20)12-9-18-13(19)11(3)8-16-15(18)21-10-12/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).